U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C22H17N5OS4
Molecular Weight 495.663
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-PYRIDINECARBOXYLIC ACID 2,2-BIS((2-THIOXO-3(2H)-BENZOTHIAZOLYL)METHYL)HYDRAZIDE

SMILES

O=C(NN(CN1C(=S)SC2=C1C=CC=C2)CN3C(=S)SC4=C3C=CC=C4)C5=CC=NC=C5

InChI

InChIKey=FKYOAWYFVZWIKO-UHFFFAOYSA-N
InChI=1S/C22H17N5OS4/c28-20(15-9-11-23-12-10-15)24-25(13-26-16-5-1-3-7-18(16)31-21(26)29)14-27-17-6-2-4-8-19(17)32-22(27)30/h1-12H,13-14H2,(H,24,28)

HIDE SMILES / InChI

Molecular Formula C22H17N5OS4
Molecular Weight 495.663
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:54:13 GMT 2023
Edited
by admin
on Sat Dec 16 12:54:13 GMT 2023
Record UNII
2GLU2PE5RY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-PYRIDINECARBOXYLIC ACID 2,2-BIS((2-THIOXO-3(2H)-BENZOTHIAZOLYL)METHYL)HYDRAZIDE
Systematic Name English
4-PYRIDINECARBOXYLIC ACID, 2,2-BIS((2-THIOXO-3(2H)-BENZOTHIAZOLYL)METHYL)HYDRAZIDE
Systematic Name English
NSC-327315
Code English
H-15
Code English
Code System Code Type Description
EPA CompTox
DTXSID50221309
Created by admin on Sat Dec 16 12:54:13 GMT 2023 , Edited by admin on Sat Dec 16 12:54:13 GMT 2023
PRIMARY
CAS
71085-96-6
Created by admin on Sat Dec 16 12:54:13 GMT 2023 , Edited by admin on Sat Dec 16 12:54:13 GMT 2023
PRIMARY
FDA UNII
2GLU2PE5RY
Created by admin on Sat Dec 16 12:54:13 GMT 2023 , Edited by admin on Sat Dec 16 12:54:13 GMT 2023
PRIMARY
NSC
327315
Created by admin on Sat Dec 16 12:54:13 GMT 2023 , Edited by admin on Sat Dec 16 12:54:13 GMT 2023
PRIMARY
PUBCHEM
72498
Created by admin on Sat Dec 16 12:54:13 GMT 2023 , Edited by admin on Sat Dec 16 12:54:13 GMT 2023
PRIMARY